General Information of the Compound
| Compound ID |
CP0451735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[(4-methoxybenzoyl)amino]-2-methylphenyl]-4-(methylamino)-2-[4-methyl-3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31N7O4
|
||||||||||||||||||
| Molecular Weight |
565.634
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccc(OC)cc2)ccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31N7O4/c1-6-27(39)36-25-16-22(12-8-18(25)2)35-31-33-17-24(28(32-4)38-31)30(41)37-26-15-21(11-7-19(26)3)34-29(40)20-9-13-23(42-5)14-10-20/h6-17H,1H2,2-5H3,(H,34,40)(H,36,39)(H,37,41)(H2,32,33,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AILGKZBMDQBOHL-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound